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/* |
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* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project |
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* |
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* Contact: oopse@oopse.org |
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* |
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* This program is free software; you can redistribute it and/or |
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* modify it under the terms of the GNU Lesser General Public License |
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* as published by the Free Software Foundation; either version 2.1 |
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* of the License, or (at your option) any later version. |
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* All we ask is that proper credit is given for our work, which includes |
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* - but is not limited to - adding the above copyright notice to the beginning |
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* of your source code files, and to any copyright notice that you may distribute |
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* with programs based on this work. |
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* |
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* This program is distributed in the hope that it will be useful, |
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* but WITHOUT ANY WARRANTY; without even the implied warranty of |
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
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* GNU Lesser General Public License for more details. |
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* |
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* You should have received a copy of the GNU Lesser General Public License |
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* along with this program; if not, write to the Free Software |
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* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* |
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* This software is provided "AS IS," without a warranty of any |
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* kind. All express or implied conditions, representations and |
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* warranties, including any implied warranty of merchantability, |
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* fitness for a particular purpose or non-infringement, are hereby |
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* excluded. The University of Notre Dame and its licensors shall not |
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* be liable for any damages suffered by licensee as a result of |
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* using, modifying or distributing the software or its |
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* derivatives. In no event will the University of Notre Dame or its |
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* licensors be liable for any lost revenue, profit or data, or for |
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* direct, indirect, special, consequential, incidental or punitive |
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* damages, however caused and regardless of the theory of liability, |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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*/ |
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/** |
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* @file SquareMatrix3.hpp |
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* @author Teng Lin |
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/** default constructor */ |
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SquareMatrix3() : SquareMatrix<Real, 3>() { |
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} |
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/** Constructs and initializes every element of this matrix to a scalar */ |
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SquareMatrix3(Real s) : SquareMatrix<Real,3>(s){ |
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} |
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/** Constructs and initializes from an array */ |
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SquareMatrix3(Real* array) : SquareMatrix<Real,3>(array){ |
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} |
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|
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|
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/** copy constructor */ |
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SquareMatrix3(const SquareMatrix<Real, 3>& m) : SquareMatrix<Real, 3>(m) { |
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} |
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SquareMatrix3( const Vector3<Real>& eulerAngles) { |
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setupRotMat(eulerAngles); |
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} |
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return *this; |
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} |
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SquareMatrix3<Real>& operator =(const Quaternion<Real>& q) { |
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this->setupRotMat(q); |
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return *this; |
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} |
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|
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/** |
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* Sets this matrix to a rotation matrix by three euler angles |
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* @ param euler |
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*/ |
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Vector3<Real> toEulerAngles() { |
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Vector3<Real> myEuler; |
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Real phi,theta,psi,eps; |
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Real ctheta,stheta; |
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Real phi; |
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Real theta; |
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Real psi; |
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Real ctheta; |
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Real stheta; |
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// set the tolerance for Euler angles and rotation elements |
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return(x + y + z); |
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} |
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|
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/** Returns the trace of this matrix. */ |
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Real trace() const { |
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return data_[0][0] + data_[1][1] + data_[2][2]; |
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} |
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/** |
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* Sets the value of this matrix to the inversion of itself. |
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* @note since simple algorithm can be applied to inverse the 3 by 3 matrix, we hide the |
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* implementation of inverse in SquareMatrix class |
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*/ |
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SquareMatrix3<Real> inverse() { |
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SquareMatrix3<Real> inverse() const { |
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SquareMatrix3<Real> m; |
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double det = determinant(); |
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if (fabs(det) <= oopse::epsilon) { |
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// transpose the eigenvectors back again |
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v = v.transpose(); |
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return ; |
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} |
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|
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/** |
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* Return the multiplication of two matrixes (m1 * m2). |
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* @return the multiplication of two matrixes |
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* @param m1 the first matrix |
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* @param m2 the second matrix |
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*/ |
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template<typename Real> |
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inline SquareMatrix3<Real> operator *(const SquareMatrix3<Real>& m1, const SquareMatrix3<Real>& m2) { |
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SquareMatrix3<Real> result; |
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for (unsigned int i = 0; i < 3; i++) |
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for (unsigned int j = 0; j < 3; j++) |
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for (unsigned int k = 0; k < 3; k++) |
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result(i, j) += m1(i, k) * m2(k, j); |
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return result; |
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} |
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template<typename Real> |
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inline SquareMatrix3<Real> outProduct(const Vector3<Real>& v1, const Vector3<Real>& v2) { |
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SquareMatrix3<Real> result; |
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for (unsigned int i = 0; i < 3; i++) { |
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for (unsigned int j = 0; j < 3; j++) { |
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result(i, j) = v1[i] * v2[j]; |
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} |
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} |
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return result; |
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} |
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typedef SquareMatrix3<double> Mat3x3d; |
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typedef SquareMatrix3<double> RotMat3x3d; |
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